BUILD

The builders within the MAPS platform provide graphical interfaces for model building of any type of materials.

SKETCHER
Build complex molecular models by adding or replacing atoms or group of atoms (fragments) and changing any distance or angle. Advanced features such as an automated structure optimization or a ring fusion capability are also included.

CRYSTAL BUILDER
Build crystal structures of any space group and composition and adjust cell parameters or atomic positions of any periodic structure as desired.

SURFACE BUILDER
Build surfaces from any periodic systems by specifying the the desired Miller indices, number of layers and vacuum size above the surface. Advanced options enable the user to cap dangling bonds or consolidate fragment molecules.

INTERFACE BUILDER
Construct interfaces, such as hetero-junctions, by combining two distinct periodic systems (bulk or surface).

SURFACE DOCKER
Advanced technology that builds low energy systems of a molecule over a surface. The molecule is rotated at specific points over the surface and the system energy is computed on every rotation. The lowest energy per surface point is stored for further simulations and analysis.

POLYMER BUILDER
Create polymer chains containing any combination of monomer units from the built-in library (containing generic or user-defined monomers). Random or block co-polymers can be built with the desired polymer tacticity.

AMORPHOUS BUILDER
Build realistic models of amorphous, confined or nano-structured materials. It uses Monte Carlo technology combined with recoil growth technique for building sophisticated amorphous structures of pure or mixed systems. Interfaces (mono- and multilayered) or docked systems can be built using periodic systems as matrices to grow. Several features enable building of rigid systems at experimental densities.

CROSS-LINK BUILDER
Build cross-linked polymers using molecular dynamics and mechanics simulations through LAMMPS-atomistic engine. The desired final crosslink percentage can be set as an input for the building procedure.